SCHEMBL11482002

SCHEMBL11482002

CCc1cccc(N)c1S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.44
GABRB2 P47870 4/20 0.44
CYP3A4 P08684 3/20 0.39
TSHR P16473 2/20 0.39
PIK3CA P42336 1/20 0.39
PARP1 P09874 1/20 0.37
MGLL Q99685 1/20 0.36
ELANE P08246 1/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CD44 P16070 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
TLR8 Q9NR97 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL6291806 0.98 GABRA1 (0.43) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL5184430 0.83 GABRA1 (0.55) GABRA1GABRB2MGLLMAPT
SCHEMBL15750993 0.83 CYP3A4 (0.36) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL6756197 0.81 ALDH1A1 (0.38) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL39547 0.78
SCHEMBL29565534 0.78
SCHEMBL595335 0.76 GABRA1 (0.48) GABRA1GABRB2CYP3A4TSHRPIK3CA
SCHEMBL1972038 0.76 GABRA1 (0.48) GABRA1GABRB2MGLLSMN1; SMN2MAPT
Iodide SCHEMBL29238182 0.75 CYP3A4 (0.47) GABRA1GABRB2CYP3A4TSHRPIK3CA
Bromide SCHEMBL28472529 0.75 CYP3A4 (0.47) GABRA1GABRB2CYP3A4TSHRPIK3CA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9957241-B2 Aromatic diamine, an intermediate therefor, a method for producing the aromatic diamine, and a method for producing the intermediate therefor SEIKA CORPORATION (JP) 2018-05-01 US disclosed
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR SEIKA CORPORATION (JP) 2018-03-22 US disclosed
CN-107531652-A Aromatic diamine, intermediate thereof, and processes for producing these 精化株式会社 2018-01-02 CN disclosed
EP-2738208-B1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEM (JP) 2017-07-19 EP disclosed
CN-103703071-B Coupling agent for rubber/carbon black and rubber composition for tire containing the same SHIKOKU CHEMICALS CORP. (JP) 2015-12-09 CN disclosed
US-9200145-B2 Coupling agent for rubber/carbon black, and rubber composition containing same for use in tires SHIKOKU CHEMICALS CORPORATION (JP) 2015-12-01 US disclosed
US-20140155541-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES SHIKOKU CHEMICALS CORPORATION (JP) 2014-06-05 US disclosed
EP-2738208-A1 COUPLING AGENT FOR RUBBER/CARBON BLACK, AND RUBBER COMPOSITION CONTAINING SAME FOR USE IN TIRES Shikoku Chemicals Corporation (JP) 2014-06-04 EP disclosed
CN-103703071-A Coupling agent for rubber/carbon black and rubber composition for tire containing the same SHIKOKU CHEM 2014-04-02 CN disclosed
US-4242474-A A POLYHYDROXY ACRYLIC ESTER REACTED WITH AN ISOCYANATE TERMINATED POLYOXYALKYLENE GLYCOL; BIOPOLYMERS TERUMO CORPORATION (JP) 1980-12-30 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20180079732-A1 AROMATIC DIAMINE, AN INTERMEDIATE THEREFOR, A METHOD FOR PRODUCING THE AROMATIC DIAMINE, AND A METHOD FOR PRODUCING THE INTERMEDIATE THEREFOR WEE1, WEE2, WASF2 GABRA1 409/4885GABRB2 640/4885CYP3A4 933/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.